PDBe < PISA < EMBL-EBI

PISA Interface List.

Session Map (id=377-HO-501)

Interfaces in PDB 3ptg crystal.
Space symmetry group: P 21 21 21. Resolution: 2.43 Å

DESIGN AND SYNTHESIS OF A NOVEL, ORALLY EFFICACIOUS TRI-SUBSTITUTED THIOPHENE BASED JNK INHIBITOR

Interfaces

##		Structure 1				×	Structure 2						interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
NN	«»	Range	ⁱN_at	ⁱN_res	Surface Å²	×	Range	Symmetry op-n	Sym.ID	ⁱN_at	ⁱN_res	Surface Å²	interface area, Å²	ΔⁱG kcal/mol	ΔⁱG P-value	N_HB	N_SB	N_DS	CSS
`1`		J	`51`	`9`	`1619`	`◊`	A	x,y,z	`1_555`	`66`	`21`	`16359`	`578.2`	`-6.1`	`0.444`	`7`	`3`	`0`	`0.714`
`2`		A	`56`	`14`	`16359`	`x`	A	x-1,y,z	`1_455`	`53`	`15`	`16359`	`498.2`	`-3.1`	`0.425`	`7`	`0`	`0`	`0.000`
`3`		A	`61`	`19`	`16359`	`x`	A	-x,y-1/2,-z+1/2	`3_545`	`48`	`13`	`16359`	`477.2`	`0.2`	`0.688`	`7`	`2`	`0`	`0.000`
`4`		[932]A:1	`26`	`1`	`524`	`f`	A	x,y,z	`1_555`	`50`	`19`	`16359`	`350.6`	`-2.5`	`0.224`	`3`	`0`	`0`	`0.286`
`5`		A	`29`	`11`	`16359`	`◊`	J	-x+1/2,-y,z-1/2	`2_554`	`25`	`5`	`1619`	`250.0`	`-4.7`	`0.306`	`0`	`0`	`0`	`0.000`
`6`		A	`23`	`8`	`16359`	`x`	A	-x-1/2,-y,z-1/2	`2_454`	`24`	`6`	`16359`	`201.1`	`-0.7`	`0.516`	`1`	`0`	`0`	`0.000`
`7`		A	`27`	`8`	`16359`	`x`	A	-x+1/2,-y,z-1/2	`2_554`	`18`	`7`	`16359`	`162.6`	`0.5`	`0.720`	`1`	`0`	`0`	`0.000`
`8`		A	`8`	`3`	`16359`	`x`	A	x-1/2,-y-1/2,-z	`4_445`	`8`	`3`	`16359`	`76.9`	`-0.1`	`0.546`	`0`	`0`	`0`	`0.000`
`9`		A	`5`	`2`	`16359`	`◊`	[932]A:1	-x+1/2,-y,z-1/2	`2_554`	`4`	`1`	`524`	`37.3`	`1.3`	`0.656`	`0`	`0`	`0`	`0.000`
`10`		J	`5`	`2`	`1619`	`◊`	A	x-1/2,-y-1/2,-z+1	`4_446`	`3`	`1`	`16359`	`33.5`	`0.4`	`0.798`	`0`	`0`	`0`	`0.000`
`11`		A	`1`	`1`	`16359`	`x`	A	x-1/2,-y-1/2,-z+1	`4_446`	`1`	`1`	`16359`	`0.3`	`0.0`	`0.676`	`0`	`0`	`0`	`0.000`

PDBe PISA v1.52 [20/10/2014]

Protein Data Bank
in Europe